1-(furan-2-yl)-2-phenylsulfanylethanol

C12H12O2S — CID 60752021

IUPAC1-(furan-2-yl)-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1ccco1
InChIInChI=1S/C12H12O2S/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11,13H,9H2
InChIKeyAXJDXNZWGWRBJB-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.11
Rot. Bonds4

About 1-(furan-2-yl)-2-phenylsulfanylethanol

1-(furan-2-yl)-2-phenylsulfanylethanol (PubChem CID 60752021) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-phenylsulfanylethanol
PubChem CID60752021
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name1-(furan-2-yl)-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1ccco1
InChIInChI=1S/C12H12O2S/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11,13H,9H2
InChIKeyAXJDXNZWGWRBJB-UHFFFAOYSA-N
XLogP3.11
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-phenylsulfanylethanol?
The IUPAC name of 1-(furan-2-yl)-2-phenylsulfanylethanol (CID 60752021) is 1-(furan-2-yl)-2-phenylsulfanylethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-phenylsulfanylethanol?
The canonical SMILES for 1-(furan-2-yl)-2-phenylsulfanylethanol is OC(CSc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-phenylsulfanylethanol?
The InChIKey is AXJDXNZWGWRBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c13-11(12-7-4-8-14-12)9-15-10-5-2-1-3-6-10/h1-8,11,13H,9H2.
What are the key properties of 1-(furan-2-yl)-2-phenylsulfanylethanol?
1-(furan-2-yl)-2-phenylsulfanylethanol has a molecular weight of 220.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-phenylsulfanylethanol is sourced from PubChem (CID 60752021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).